@<TRIPOS>MOLECULE
BindingDB_7744
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.5612   14.1455   16.7320  C     
2    C        29.1772   12.4678   15.0342  C     
3    C        30.1140   11.4501   14.9788  C     
4    C        29.3250   13.0388   16.3022  C     
5    N        30.2378   12.3522   16.9775  N     
6    C        30.6966   11.3932   16.2091  C     
7    O        31.5106   10.5716   16.6223  O     
8    N        31.4273    9.8283   13.8965  N     
9    C        31.4313    8.5097   13.5663  C     
10   C        31.5905    5.6888   13.2088  C     
11   C        32.7611    6.4525   13.4114  C     
12   C        32.6735    7.8440   13.5976  C     
13   C        30.2647    7.7403   13.2994  C     
14   C        30.3482    6.3497   13.1226  C     
15   O        30.3659    3.2832   12.5475  O     
16   S        31.6864    3.9538   13.1329  S     
17   O        32.9005    3.5461   12.1903  O     
18   N        32.0071    3.3418   14.6649  N     
19   C        27.6232   14.6997   15.8444  C     
20   C        27.4468   14.1228   14.5707  C     
21   C        26.6244   13.7904   12.5583  C     
22   C        28.2069   13.0149   14.1604  C     
23   S        27.7423   12.4928   12.5739  S     
24   N        26.5743   14.5301   13.6446  N     
25   C        30.3705   10.6354   13.9392  C     
26   H        28.7001   14.5408   17.6664  H     
27   H        30.5188   12.5308   17.8908  H     
28   H        32.2877   10.2046   14.1864  H     
29   H        33.6713    6.0026   13.4558  H     
30   H        33.5344    8.3705   13.7815  H     
31   H        29.3477    8.1869   13.2783  H     
32   H        29.4864    5.8175   12.9685  H     
33   H        32.7105    2.6777   14.7908  H     
34   H        31.5429    3.7043   15.4363  H     
35   H        27.0640   15.5058   16.1299  H     
36   H        26.0236   13.9526   11.7866  H     
37   H        29.7922   10.6557   13.1363  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   19 1
     3    2    3 1
     4    2    4 1
     5    2   22 2
     6    3    6 1
     7    3   25 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   25 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   18 am
    23   19   20 2
    24   20   22 1
    25   20   24 1
    26   21   23 1
    27   21   24 2
    28   22   23 1
    29    1   26 1
    30    5   27 1
    31    8   28 1
    32   11   29 1
    33   12   30 1
    34   13   31 1
    35   14   32 1
    36   18   33 1
    37   18   34 1
    38   19   35 1
    39   21   36 1
    40   25   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.8017
  Crash		| -0.8825
  Polar		| 2.2947
  FragIndex	| 1
  FragRMSD	| 0.655